N,3-Dimethylaniline

C₈H₁₁NCAS 696-44-6121.18 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₁N
Molar mass: 121.18 g/mol
Exact mass: 121.0891 Da
Melting point: 123 °C
Boiling point: 206.5 °C
logP: 2.04Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-055-00-3[2]), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

696-44-6

SMILES

CNc1cccc(C)c1

InChIKey

FBGJJTQNZVNEQU-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzenamine, N,3-dimethyl-
m-Toluidine, N-methyl-
N,3-Dimethylbenzenamine
N-Methyl-m-toluidine
m,N-Dimethylaniline
N-Methyl-N-(3-methylphenyl)amine
NSC 9396
N-Methyl(3-methylphenyl)amine
N-(3-Methylphenyl)methylamine
N-Methyl-N-(m-tolyl)amine
3-Methyl-N-methylaniline
Methyl(3-methylphenyl)amine

Work with N,3-Dimethylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

m,m'-Ditolylamine626-13-167 % similar 3-Methyldiphenylamine1205-64-762 % similar N-Methylaniline100-61-857 % similar 3-Fluoro-N-methylaniline1978-37-656 % similar 3-Chloro-N-methylaniline7006-52-256 % similar N-Ethyl-m-toluidine102-27-255 % similar m-Tolylhydrazine hydrochloride637-04-755 % similar M-Xylene108-38-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylbenzylamine100-81-2 N-Methylbenzylamine103-67-3 N-Ethylaniline103-69-5 4-Methylbenzylamine104-84-7 5-Ethyl-2-methylpyridine104-90-5 3,5-Xylidine108-69-0 2,4,6-Trimethylpyridine108-75-8 4-Propylpyridine1122-81-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook